N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide

C16H16ClFN2O — CID 107531156

IUPACN-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
SMILESCCNc1ccc(C)cc1C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-3-19-14-7-4-10(2)8-12(14)16(21)20-15-9-11(18)5-6-13(15)17/h4-9,19H,3H2,1-2H3,(H,20,21)
InChIKeyRZSQFUWDWVGABJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.47
Rot. Bonds4

About N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide

N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide (PubChem CID 107531156) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
PubChem CID107531156
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
SMILESCCNc1ccc(C)cc1C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-3-19-14-7-4-10(2)8-12(14)16(21)20-15-9-11(18)5-6-13(15)17/h4-9,19H,3H2,1-2H3,(H,20,21)
InChIKeyRZSQFUWDWVGABJ-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 107531322
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 62166687
2-(ethylamino)-N-(2-fluorophenyl)-5-methylbenzamide
CID 62511053
5-chloro-N-(2,4-difluorophenyl)-2-(ethylamino)benzamide
CID 62166930
N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511235
N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 107631262
2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide
CID 62508809
2-(ethylamino)-N-(4-fluoro-3-methylphenyl)-5-methylbenzamide
CID 62813653
2-(ethylamino)-5-methyl-N-phenylbenzamide
CID 62509479
5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107531221

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide (CID 107531156) is N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide is CCNc1ccc(C)cc1C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide?
The InChIKey is RZSQFUWDWVGABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-3-19-14-7-4-10(2)8-12(14)16(21)20-15-9-11(18)5-6-13(15)17/h4-9,19H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide?
N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide is sourced from PubChem (CID 107531156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).